General Information of the Compound
| Compound ID |
CP0082470
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| Compound Name |
(6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleate
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| Synonyms |
(+)-9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8beta-carboxamide
(+)-N-(1-(Hydroxymethyl)propyl)-1-methyl-D-lysergamide
(8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
1-Methyl-D-lysergic acid butanolamide
1-Methyl-dextro-lysergic acid (+)-1-hydroxy-2-butylamide
1-Methylmethylergonovine
9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8-carboxamide
Deseril
Deseril (TN)
Desernil
Desernyl
Deseryl
Desril
Dimethylergometrin
Methyllysergic acid butanolamide
Methylmethylergonovine
Methysergid
Methysergide
Methysergide (USAN/INN)
Methysergide [USAN:INN:BAN]
Methysergidum
Methysergidum [INN-Latin]
Metisergide
Metisergide [DCIT]
Metisergido
Metisergido [INN-Spanish]
N-(1-(Hydroxymethyl)propyl)-1-methyl-dextro-(+)-lysergamide
N-(alpha-(Hydroxymethyl)propyl)-1-methyl-dextro-lysergamide
Sansert
Sansert (TN)
UML 491
UML-491
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
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| InChI |
InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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| InChIKey |
KPJZHOPZRAFDTN-ZRGWGRIASA-N
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| CAS |
361-37-5
156558-44-0
2016-33-3
29987-97-1
47478-64-8
746-51-0
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Clinical Information about the Compound